5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

C17H21ClN2 — CID 73351911

IUPAC5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN2/c1-3-10-20-12(2)17(13-6-8-19-9-7-13)15-11-14(18)4-5-16(15)20/h4-6,11,19H,3,7-10H2,1-2H3
InChIKeyZPHVPMLYPGJLQA-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.39
Rot. Bonds3

About 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole

5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (PubChem CID 73351911) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.

Molecular Properties

Compound Name5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
PubChem CID73351911
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
SMILESCCCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H21ClN2/c1-3-10-20-12(2)17(13-6-8-19-9-7-13)15-11-14(18)4-5-16(15)20/h4-6,11,19H,3,7-10H2,1-2H3
InChIKeyZPHVPMLYPGJLQA-UHFFFAOYSA-N
XLogP4.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The IUPAC name of 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole (CID 73351911) is 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole.
What is the SMILES notation for 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The canonical SMILES for 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is CCCn1c(C)c(C2=CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
The InChIKey is ZPHVPMLYPGJLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-10-20-12(2)17(13-6-8-19-9-7-13)15-11-14(18)4-5-16(15)20/h4-6,11,19H,3,7-10H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole?
5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole has a molecular weight of 288.82 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-propyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole is sourced from PubChem (CID 73351911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).